Q105151354

[object Object]
Name6,10-dihydroxy-11-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
WikidataQ105151354
Mol. formulaC18H12O3
CAS registry number-
Mol. weight276.2867

Representations

Temporary LOTUS idLTS0071312
Name6,10-dihydroxy-11-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Canonical SMILESCc1cc2cccc3c2c(c1O)C(=O)c1c(O)cccc1-3
2D SMILESCc1cc2cccc3c2c(c1O)C(=O)c1c(O)cccc1-3
IUPAC name6,10-dihydroxy-11-methyltetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
InChIInChI=1S/C18H12O3/c1-9-8-10-4-2-5-11-12-6-3-7-13(19)15(12)18(21)16(14(10)11)17(9)20/h2-8,19-20H,1H3
InChIKeyLGHMJRHHYVWCBH-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)-c3cccc4cccc(c43)C2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Picramniaceae  Picramnia  Picramnia latifolia Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Polyketides|PolyketidesPolycyclic aromatic polyketides|Polycyclic aromatic polyketidesAngucyclines|

Molecular Properties

Total atom number33
Heavy atom number21
Bond count24
Number of carbons18
Minimal number of rings4
Maximal number of rings12

Molecular Descriptors

NP-likeness score 1.02
Alogp3.78
Alogp214.31
Apol 42.0875
Bpol 14.0765
EccentricConnectivityIndexDescriptor 292
FmfDescriptor 0.8095
Fsp3 0.0556
FragmentComplexityDescriptor 876.03
PetitjeanNumber 0.375
LipinskiRuleOf5Failures 0
WienerPathNumber754
Xlogp 4.174
ZagrebIndex 122
TopoPSA 57.53